#diffusion models
Oct 2026
A Transferable Descriptor for Accurate Prediction of Excitonic Couplings in A-D-A Organic Photovoltaic Acceptors
Abstract Exciton diffusion length (LD) is a key parameter determining the power conversion efficiency of organic solar cells (OSCs), yet its fast and accurate calculation is computationally challenging due to thin-film structural disorder and the long-range nature of excitonic coupling. Herein, we introduce a coarse-gr...
Zirui Wang, Qiming Zhao, Yuanping Yi et al.
· Journal of Chemical Informat... · 0 citations